SCHEMBL921132

SCHEMBL921132

CCCCCc1cc[c]c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.41
CYP3A4 P08684 2/20 0.41
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.40
TP53 P04637 1/20 0.40
HSPD1 P10809 1/20 0.40
ADRB3 P13945 1/20 0.40
HTR2C P28335 1/20 0.40
HSPE1 P61604 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27327336 0.98 PTGS2 (0.43) PTGS2CYP3A4LPLLIPGALDH1A1
SCHEMBL27305339 0.98 PTGS2 (0.43) PTGS2CYP3A4LPLLIPGALDH1A1
SCHEMBL920979 0.98 PTGS2 (0.43) PTGS2CYP3A4LPLLIPGALDH1A1
SCHEMBL922743 0.98 PTGS2 (0.43) PTGS2CYP3A4LPLLIPGALDH1A1
SCHEMBL27324194 0.98 PTGS2 (0.43) PTGS2CYP3A4LPLLIPGALDH1A1
SCHEMBL27304383 0.98 PTGS2 (0.43) PTGS2CYP3A4LPLLIPGALDH1A1
SCHEMBL921792 0.94 SKP2 (0.42) PTGS2CYP3A4LPLLIPGALDH1A1
SCHEMBL921205 0.86 CNR1 (0.39) CYP3A4LPLLIPGKDM4ELMNA
SCHEMBL921800 0.81 IGF1R (0.46) HTR2A
SCHEMBL15067603 0.81 PTGS2 (0.44) PTGS2CYP3A4LPLLIPGALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285617-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1991-12-27 EP claimed
EP-0216672-B1 MIXTURE OF NEMATIC LIQUID CRYSTALS CONTAINING A 1-(ALKYL CYCLOHEXYL)-2-(ALKYL FLUORO BISPHENYLYL) ETHANE COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1991-01-16 EP claimed
EP-0216671-A1 Mixture of liquid crystals containing a Schiff base COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1987-04-01 EP claimed
EP-0216672-A1 Mixture of nematic liquid crystals containing a 1-(alkyl cyclohexyl)-2-(alkyl fluoro bisphenylyl) ethane COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1987-04-01 EP claimed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
EP-0445274-A1 LIQUID CRYSTALLINE MEDIUM. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed
WO-1991002779-A1 LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-07 WO disclosed
EP-0216672-B1 MIXTURE OF NEMATIC LIQUID CRYSTALS CONTAINING A 1-(ALKYL CYCLOHEXYL)-2-(ALKYL FLUORO BISPHENYLYL) ETHANE COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1991-01-16 EP disclosed
EP-0368975-A1 FLUORINATED BIPHENYLDIOLE DERIVATIVES. MERCK PATENT GMBH (DE) 1990-05-23 EP disclosed
EP-0236215-B1 2,2'-DIFLUORO-4-ALKOXY-4'-HYDROXY BIPHENYLS AND THEIR DERIVATIVES, THEIR PRODUCTION PROCESS AND THEIR USE IN LIQUID CRYSTAL DISPLAY DEVICES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1990-01-10 EP disclosed
WO-1989012039-A1 FLUORINATED BIPHENYLDIOLE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-12-14 WO disclosed
EP-0236215-A1 2,2'-Difluoro-4-alkoxy-4'-hydroxy biphenyls and their derivatives, their production process and their use in liquid crystal display devices COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1987-09-09 EP disclosed
EP-0216671-A1 Mixture of liquid crystals containing a Schiff base COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1987-04-01 EP disclosed
EP-0216672-A1 Mixture of nematic liquid crystals containing a 1-(alkyl cyclohexyl)-2-(alkyl fluoro bisphenylyl) ethane COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1987-04-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 PTGS2 2624/4885CYP3A4 3076/4885LPL 3971/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 PTGS2 3582/4885CYP3A4 3032/4885LPL 4729/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.